SCHEMBL20211014

SCHEMBL20211014

O=C(O)NC(CCCC(=O)N(Cc1cccs1)Cc1cccs1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
TRPM8 Q7Z2W7 7/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PARP1 P09874 1/20 0.39
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16762082 1.00 POLB (0.58) POLBTDP1TRPM8HDAC1HDAC6
SCHEMBL16762075 0.87 ALDH1A1 (0.46) POLBTDP1TRPM8MAPTNPSR1
SCHEMBL16762178 0.87 ALDH1A1 (0.46) POLBTDP1TRPM8MAPTNPSR1
SCHEMBL16762032 0.87 POLB (0.46) POLBTDP1TRPM8HDAC1HDAC6
SCHEMBL16762002 0.86 POLB (0.45) POLBTDP1TRPM8HDAC1HDAC6
SCHEMBL21715223 0.84 CTSK (0.54) POLBTDP1TRPM8KMT2A
SCHEMBL31277505 0.84 CTSK (0.54) POLBTDP1TRPM8KMT2A
SCHEMBL16762058 0.82 SMN1; SMN2 (0.53) POLBTDP1PKMALDH1A1SMN1; SMN2
SCHEMBL16762027 0.82 FOLH1 (0.43) POLBTDP1TRPM8KMT2AMAPT
SCHEMBL6123154 0.81 ALDH1A1 (0.47) POLBTDP1MAPTPKMTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709781-B2 Integrin activator checkpoint inhibitor compositions 7 Hills Pharma LLC (US) 2020-07-14 US claimed
EP-2881392-B1 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INST (US) 2018-06-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10709781-B2 Integrin activator checkpoint inhibitor compositions CD47, ITGA1, ITGAM POLB 1327/4885TDP1 3565/4885TRPM8 900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.